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Structure refinement of black phosphorus under high pressure
Yuichi Akahama1, Masashi Miyakawa2, Takashi Taniguchi2
1Graduate School of Material Science, University of Hyogo, 3-2-1 Kamigohri, Hyogo 678-1297, Japan.
The Journal of Chemical Physics
|July 10, 2020
Summary
High-pressure neutron diffraction reveals black phosphorus
Area of Science:
- Condensed matter physics
- Materials science
- Crystallography
Background:
- Black phosphorus exhibits unique electronic properties, including a Dirac semimetal state.
- Understanding its structural response to pressure is crucial for its applications.
Purpose of the Study:
- To precisely determine the structural changes in black phosphorus under high pressure.
- To resolve discrepancies in previous high-pressure studies.
Main Methods:
- Powder neutron diffraction at pressures up to 3.2 GPa.
- Structure refinement and analysis of bond lengths and angles.
Main Results:
- Lattice parameters show anisotropic compressibility.
- Covalent P-P bond lengths remain nearly constant.
- The P-P-P bond angle significantly decreases with pressure.
Conclusions:
- Structural data clarifies high-pressure behavior of black phosphorus.
- Findings support understanding of its Dirac semimetal state under pressure.

